MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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6-O-sulfo-beta-D-galactosyl-(1<->1)-sphing-4-enine

MNXM7718 is deprecated and here replaced by MNXM740114
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM740114
reference	chebi:58170
formula	C₂₄H₄₇NO₁₀S
global charge	0
mol weight	541.704
InChIKey	UIEYIJKBVSNMMH-PIIMIWFASA-N
InChI	InChI=1S/C24H47NO10S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(26)18(25)16-33-24-23(29)22(28)21(27)20(35-24)17-34-36(30,31)32/h14-15,18-24,26-29H,2-13,16-17,25H2,1H3,(H,30,31,32)/b15-14+/t18-,19+,20+,21-,22-,23+,24+/m0/s1
SMILES	CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H]([NH3+])CO[C@@H]1O[C@H](COS(=O)(=O)[O-])[C@H](O)[C@H](O)[C@H]1O

MNX internals

InChI (mnx)	InChI=1/C24H47NO10S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(26)18(25)16-33-24-23(29)22(28)21(27)20(35-24)17-34-36(30,31)32/h14-15,18-24,26-29H,2-13,16-17,25H2,1H3,(H,30,31,32)/b15-14+/t18-,19+,20+,21-,22-,23+,24+/m0/s1
SMILES (mnx)	[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13]/[CH:14]=[CH:15]/[C@H:19]([C@H:18]([CH2:16][O:33][C@H:24]1[C@H:23]([OH:29])[C@@H:22]([OH:28])[C@@H:21]([OH:27])[C@@H:20]([CH2:17][O:34][S:36]([OH:30])(=[O:31])=[O:32])[O:35]1)[NH2:25])[OH:26]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	2

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58170 chebi:58170 UIEYIJKBVSNMMH-PIIMIWFASA-N	6-O-sulfo-beta-D-galactosyl-(1<->1)-sphing-4-enine (2S,3R,4E)-2-azaniumyl-3-hydroxyoctadec-4-en-1-yl 6-O-sulfonato-beta-D-galactopyranoside psychosine sulfate zwitterion
bigg.metabolite:C02744 biggM:C02744 kegg.compound:C02744 keggC:C02744 UIEYIJKBVSNMMH-PIIMIWFASA-N	Psychosine sulfate
seed.compound:cpd01778 seedM:cpd01778 UIEYIJKBVSNMMH-PIIMIWFASA-N	Psychosine sulfate psychosine sulfate
vmhM:C02744 vmhmetabolite:C02744 UIEYIJKBVSNMMH-PIIMIWFASA-N	Psychosine sulfate {[(2S,4R,5S,6S)-6-{[(2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}sulfonic acid
metacyc.compound:CPD-518 metacycM:CPD-518 UIEYIJKBVSNMMH-PIIMIWFASA-N	psychosine sulfate
CHEBI:17507 chebi:17507 UIEYIJKBVSNMMH-PIIMIWFASA-N	psychosine sulfate (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl 6-O-sulfo-beta-D-galactopyranoside (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl beta-D-galactopyranoside 6-(hydrogen sulfate) Psychosine sulfate
lipidmaps:LMSP08000002 lipidmapsM:LMSP08000002 UIEYIJKBVSNMMH-PIIMIWFASA-N	psychosine sulfate (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl 6-O-sulfo-beta-D-galactopyranoside (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl beta-D-galactopyranoside 6-(hydrogen sulfate) Psychosine sulfate psychosine sulfate
chebi:14967 chebi:26371 chebi:8620 biggM:M_C02744 keggC:M_C02744 seedM:M_cpd01778 vmhM:M_C02744	secondary/obsolete/fantasy identifier